Geometry & MOs

Info

ID:

309111

PubChem CID:

126537435

Reduced:

F2O2N3C21H21 (1)

Stoich.:

A2B2C3D21E21 (1)

Weight, g/mol:

1716.313538

ΔHf, kcal/mol:

-119.59

Dipole, Da:

7.71

IP(EA), eV:

 -9.34(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R)-1-[[(3R)-6-[[(2S)-2-[[(3R)-3-dodecanoyloxytetradecanoyl]amino]-1-[(3S)-1-hydroxy-3-phosphonooxybutan-2-yl]oxy-2-[(3R)-3-tetradecanoyloxytetradecanoyl]oxyethoxy]methyl]-4,5-dihydroxyoxan-3-yl]amino]-1-oxotetradecan-3-yl] hexadecanoate

Drug info:

PubChemData

Smile

C[C@](CN1CCC2=C(C1)C=C(C=C2)F)(C(=O)NC3=CC(=C(C=C3)C#N)CF)O

DOS

IR

Vibrations